4GWE
W116L-OYE1 complexed with (R)-carvone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-26 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 140.780, 140.780, 42.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.156 - 1.450 |
| R-factor | 0.1178 |
| Rwork | 0.115 |
| R-free | 0.14490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oya |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.251 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.044 | 0.180 |
| Number of reflections | 70049 | |
| <I/σ(I)> | 71 | 10 |
| Completeness [%] | 90.5 | 52.6 |
| Redundancy | 12.8 | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 277 | 0.1M hepes, 0.2M MgCl2, 35%peg400, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
